2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

C7H8N5+ — CID 71593362

IUPAC2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESC[n+]1cnc(-c2cnccn2)[nH]1
InChIInChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3/p+1
InChIKeyMQBZTIXNJYGJDE-UHFFFAOYSA-O
MW162.18 g/mol
LogP-0.31
Rot. Bonds1

About 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (PubChem CID 71593362) has the molecular formula C7H8N5+ and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.

Molecular Properties

Compound Name2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
PubChem CID71593362
Molecular FormulaC7H8N5+
Molecular Weight162.18 g/mol
Exact Mass162.08
IUPAC Name2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESC[n+]1cnc(-c2cnccn2)[nH]1
InChIInChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3/p+1
InChIKeyMQBZTIXNJYGJDE-UHFFFAOYSA-O
XLogP-0.31
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
CID 57170188
4,7-Diaza-1H-indazole
CID 12913751
Sdccgsbi-0659126.P001
CID 53192258
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
2-[5-(1-isopentyl-3-piperidyl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 53192062
2-(5-piperidin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 86820405
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
CID 176177047
3-Pyrazinyl-4,5-dihydro-1,2,4-triazolo[4,3-a]imidazole
CID 129797928

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The IUPAC name of 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (CID 71593362) is 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.
What is the SMILES notation for 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The canonical SMILES for 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is C[n+]1cnc(-c2cnccn2)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The InChIKey is MQBZTIXNJYGJDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3/p+1.
What are the key properties of 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine has a molecular weight of 162.18 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is sourced from PubChem (CID 71593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).